NESC9819 HCT.
HCT, Time Dependent 1-D Gas Hydrodynamics, Chemical Kinetics, Chemical Transport
NAME OR DESIGNATION OF PROGRAM, COMPUTER, DESCRIPTION OF PROGRAM OR FUNCTION, METHOD OF SOLUTION, RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM, TYPICAL RUNNING TIME, UNUSUAL FEATURES OF THE PROGRAM, RELATED AND AUXILIARY PROGRAMS, STATUS, REFERENCES, MACHINE REQUIREMENTS, LANGUAGE, OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED, OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS, NAME AND ESTABLISHMENT OF AUTHORS, MATERIAL, CATEGORIES
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| Program name | Package id | Status | Status date |
|---|---|---|---|
| HCT | NESC9819/01 | Tested | 25-NOV-1985 |
Machines used:
| Package ID | Orig. computer | Test computer |
|---|---|---|
| NESC9819/01 | CDC 7600 | CDC CYBER 740 |
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3. DESCRIPTION OF PROGRAM OR FUNCTION
HCT is a general program for calculating time-dependent problems involving one-dimensional gas hydrodynamics, transport, and detailed chemical kinetics. It is capable of modeling in detail one-dimensional time-dependent combustion phenomena of gases. The physical processes modeled are chemical reactions, thermal conduction, species diffusion, and hydrodynamics. Problem initialization is by input deck; output available includes a complete set of general line printer edits.
The basic difference equations allow one to efficiently calculate stiff kinetics systems and systems evolving slowly compared to sound transit times. Hydrodynamics calculation may be done in either a Lagrange or Eulerian framework. An option gives a variable spatial mesh with high resolution in areas of high-temperature gradients.
HCT is a general program for calculating time-dependent problems involving one-dimensional gas hydrodynamics, transport, and detailed chemical kinetics. It is capable of modeling in detail one-dimensional time-dependent combustion phenomena of gases. The physical processes modeled are chemical reactions, thermal conduction, species diffusion, and hydrodynamics. Problem initialization is by input deck; output available includes a complete set of general line printer edits.
The basic difference equations allow one to efficiently calculate stiff kinetics systems and systems evolving slowly compared to sound transit times. Hydrodynamics calculation may be done in either a Lagrange or Eulerian framework. An option gives a variable spatial mesh with high resolution in areas of high-temperature gradients.
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4. METHOD OF SOLUTION
For maximum robustness, the implicitly differenced hydrodynamics, transport, and kinetics equations are solved simultaneously using a generalized Newton iteration scheme. This method requires the inversion of a block tridiagonal matrix with block size proportional to the number of species. Optimized assembly language matrix-manipulation routines which take advantage of the CDC7600 pipeline architecture are included.
For maximum robustness, the implicitly differenced hydrodynamics, transport, and kinetics equations are solved simultaneously using a generalized Newton iteration scheme. This method requires the inversion of a block tridiagonal matrix with block size proportional to the number of species. Optimized assembly language matrix-manipulation routines which take advantage of the CDC7600 pipeline architecture are included.
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6. TYPICAL RUNNING TIME
A typical calculation is the ignition of a methane-air mixture and its evolution to a steady-state laminar flame. Using 15 species and 45 elementary reactions, this problem requires 5-10 minutes of CP time.
A typical calculation is the ignition of a methane-air mixture and its evolution to a steady-state laminar flame. Using 15 species and 45 elementary reactions, this problem requires 5-10 minutes of CP time.
NESC9819/01
NEA-DB executed the test cases included in this package on a CDC CYBER 740. CPU times required were: 20 seconds (CHEMDAT); 1112 seconds (HCT with MXCYCLE=40).[ top ]
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10. REFERENCES
- A.C. Hindmarsh, L.J. Sloan, K.W. Fong, and G.H. Rodrigue
DEC/SOL: Solution of Dense Systems of Linear Algebraic Equations,
UCID-30137, June 24, 1976.
- C.K. Westbrook and L.L. Chase
Chemical Kinetics and Thermochemical Data for Combustion
Applications,
UCID-17833, April 30, 1978.
- A.C. Hindmarsh, L.J. Sloan, K.W. Fong, and G.H. Rodrigue
DEC/SOL: Solution of Dense Systems of Linear Algebraic Equations,
UCID-30137, June 24, 1976.
- C.K. Westbrook and L.L. Chase
Chemical Kinetics and Thermochemical Data for Combustion
Applications,
UCID-17833, April 30, 1978.
NESC9819/01, included references:
- C.M. Lund:HCT - A General Computer Program for Calculating Time-Dependent
Phenomena Involving One-Dimensional Hydrodynamics, Transport,
and Detailed Chemical Kinetics.
UCRL-52504 (August 2, 1978)
- Author's Notes on HCT Implementation.
NESC Note 84-53 (August 21, 1984)
- W.S. Derby, J.T. Engle, J.T. Martin:
LRLTRAN Language used with the CHAT and CIVIC compilers
LCSD-302, Rev. 1 (1 June 1982)
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11. MACHINE REQUIREMENTS
100,000 words of memory are required on the CDC7600 for a case using 15 species and 45 elementary reactions. Graphics output is generated with a postprocessor which reads dumps produced during an HCT run. It uses the LLNL computing environment DISPLAY software to produce hardcopy graphs or 16mm movies in either color or black-and-white. The DISPLAY package software is not included.
100,000 words of memory are required on the CDC7600 for a case using 15 species and 45 elementary reactions. Graphics output is generated with a postprocessor which reads dumps produced during an HCT run. It uses the LLNL computing environment DISPLAY software to produce hardcopy graphs or 16mm movies in either color or black-and-white. The DISPLAY package software is not included.
NESC9819/01
Main storage requirements on CDC CYBER 740 for running the test cases are: 110,600 (octal) words for CHEMDAT; 166,600 (octal) words for HCT.[ top ]
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NESC9819/01
| File name | File description | Records |
|---|---|---|
| NESC9819_01.001 | information file | 73 |
| NESC9819_01.002 | job control cards | 18 |
| NESC9819_01.003 | CHEMDAT source program | 3445 |
| NESC9819_01.004 | HCT source program | 9672 |
| NESC9819_01.005 | DEC & SOL source (COMPASS) | 2375 |
| NESC9819_01.006 | MINMAX & HOROLOG subroutines | 13 |
| NESC9819_01.007 | MMM source program (COMPASS) | 277 |
| NESC9819_01.008 | MMV source program (COMPASS) | 170 |
| NESC9819_01.009 | HCT test case input data | 82 |
| NESC9819_01.010 | CHEMDAT printed output | 2843 |
| NESC9819_01.011 | HCT printed output | 4370 |
Keywords: Lagrange equations, combustion kinetics, differential equations, hydrodynamics, thermal conduction, time dependence.